6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine

C9H6BrClN2O2 — CID 117106452

IUPAC6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine
SMILESCOc1nnc(-c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C9H6BrClN2O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3
InChIKeySCEMDCAVFJYFCQ-UHFFFAOYSA-N
MW289.52 g/mol
LogP3.16
Rot. Bonds2

About 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine

6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine (PubChem CID 117106452) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine.

Molecular Properties

Compound Name6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine
PubChem CID117106452
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine
SMILESCOc1nnc(-c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C9H6BrClN2O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3
InChIKeySCEMDCAVFJYFCQ-UHFFFAOYSA-N
XLogP3.16
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine?
The IUPAC name of 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine (CID 117106452) is 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine.
What is the SMILES notation for 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine?
The canonical SMILES for 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine is COc1nnc(-c2ccc(Br)o2)cc1Cl.
What is the InChIKey of 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine?
The InChIKey is SCEMDCAVFJYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-14-9-5(11)4-6(12-13-9)7-2-3-8(10)15-7/h2-4H,1H3.
What are the key properties of 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine?
6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine has a molecular weight of 289.52 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine is sourced from PubChem (CID 117106452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).